CAS RN: 1342956-55-1
4-methyl-1-(piperidin-1-yl)pentan-1-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1342956-55-1
- Purity/Analytical Methods: >99.0%
1342956-55-1 / 4-methyl-1-piperidin-1-ylpentan-1-one
Basic Information
CAS
1342956-55-1
Multi CAS
No
Molecular Formula
C11H21NO
Molecular Weight
183.290000
Exact Mass
183.162314
SMILES
CC(C)CCC(=O)N1CCCCC1
InChI
InChI=1S/C11H21NO/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h10H,3-9H2,1-2H3
InChIKey
OLEKOHZAOLNNGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
54.5
TPSA
20.31
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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